N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(2-phenylethynyl)benzamide Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N2O4/c26-22(19-12-14-21(15-13-19)25(28)29)16-24-23(27)20-10-8-18(9-11-20)7-6-17-4-2-1-3-5-17/h1-5,8-15,22,26H,16H2,(H,24,27)